|
|
| 59. |
L. Yuan, G. Steinle-Neumann, and A.
Suzuki, Structure and density of H2O-rich Mg2SiO4
melts at high pressure from ab initio simulations, J.
Geophys. Res. 125, e2020JB020365 (2020). DOI: 10.1029/2020JB020365 |
| 58. |
T. Meier, F. Trybel, G. Criniti, D. Laniel,
S. Khandarkhaeva, E. Koemets, T. Fedotenko, K. Glazyrin, M.
Hanfland, M. Bykov, G. Steinle-Neumann, N.
Dubrovinskaia and L. Dubrovinsky, Proton Mobility in Copper
Hydride from High-Pressure Nuclear Magnetic Resonance, Phys.
Rev. B 102, 165109 (2020). DOI: 10.1103/PhysRevB.102.165109 |
| 57. |
L. Yuan and G. Steinle-Neumann,
Strong sequestration of hydrogen into the Earth’s core
during planetary differentiation, Geophys. Res. Lett.
47, e2020GL088303 (2020). DOI:10.1029/2020GL088303 |
| 56. |
E. Posner and G. Steinle-Neumann,
Mass transport and structural properties of binary liquid
iron alloys at high pressure, Geoch., Geophys., Geosys.
20, 3556-3568 (2019). DOI: 10.1029/2019GC008393 |
| 55. |
T. Meier, F. Trybel, S. Khandarkhaeva, G.
Steinle-Neumann, S. Chariton, T. Fedotenko, S.
Petitgirard, M. Hanfland, K. Glazyrin, N. Dubrovinskaia and
L. Dubrovinsky, Pressure-Induced Hydrogen-Hydrogen
Interaction in Metallic FeH Revealed by NMR, Phys. Rev.
X 9, 031008 (2019). DOI: 10.1103/PhysRevX.9.031008 |
| 54. |
F. Wagle and G. Steinle-Neumann,
Liquid iron equation of state to the terapascal regime from
ab initio simulations, J. Geophys. Res. 124,
3350-3364 (2019). DOI: 10.1029/2018JB016994 |
| 53. |
J.-A. Korell, M. French, G.
Steinle-Neumann and R. Redmer,
Paramagnetic-to-diamagnetic transition in dense liquid iron
and its influence on electronic transport properties, Phys.
Rev. Lett. 122, 086601 (2019). DOI: 10.1103/PhysRevLett.122.086601 |
| 52. |
F. Wagle, G. Steinle-Neumann and N.
de Koker, Resistivity saturation in liquid iron-light-element alloys
at conditions of planetary cores from first principles
computations, Comptes
Rendus Geoscience 351,
154-162 (2019). DOI: 10.1016/j.crte.2018.05.002 |
| 51. |
K. Hakim, A. Rivoldini, T. Van Hoolst, S. Cottenier, J. Jaeken, T. Chust, and G. Steinle-Neumann, A new ab initio equation of state of hcp-Fe and its implication on the interior structure and mass-radius relations of rocky super-Earths, Icarus 313, 61-78.DOI: 10.1016/j.icarus.2018.05.005 |
| 50. |
F. Wagle, G. Steinle-Neumann, and N.
de Koker, Saturation and negative temperature
coefficient of electrical resistivity in liquid
iron-sulfur alloys at high densities from first-principles
calculations, Phys.
Rev. B. 97,
094307 (2018). DOI: 10.1103/PhysRevB.97.094307 |
| 49. |
F. Wagle and G. Steinle-Neumann,
Electrical resistivity discontinuity of iron along the
melting curve, Geophys.
J. Int. 213,
237-243 (2018). DOI: 10.1093/gji/ggx526 |
| 48. |
T. C. Chust, G. Steinle-Neumann, D.
Dolejš, B. S. A. Schuberth, and H.-P. Bunge, MMA-EoS: A
Computational Framework for Mineralogical Thermodynamics,
J. Geophys. Res.
122, 9881-9920
(2017). DOI: 10.1002/2017JB014501 |
| 47. |
E. Posner, G. Steinle-Neumann, V.
Vlček and D. C. Rubie, Structural changes and anomalous
self-diffusion of oxygen in liquid iron at high pressure,
Geophys. Res. Lett.
44,
3562-3534 (2017). DOI: 10.1002/2017GL072926 |
| 46. |
E.
Posner, D. C. Rubie, D. J. Frost, and G.
Steinle-Neumann, Experimental determination of
oxygen diffusion in liquid iron at high pressure, Earth Planet. Sci.
Lett. 464, 116-123
(2017). DOI: 10.1016/j.epsl.2017.02.020 |
| 45. | E.
Posner, D. C. Rubie, D. J. Frost, V. Vlček, and G.
Steinle-Neumann, High P-T experiments and first
principles calculations of the diffusion of Si and Cr in
liquid iron, Geochim.
Cosmochim. Acta 203, 323-342
(2017). DOI: 10.1016/j.gca.2017.01.024 |
| 44. |
V.
Vlcek, H. R. Eisenberg, G. Steinle-Neumann, D. Neuhauser,
E. Rabani, and
R. Baer, Spontaneous Charge Carrier Localization in
Extended One-Dimensional Systems, Phys. Rev. Lett.
116, 186401
(2016). DOI: 10.1103/PhysRevLett.116.186401 |
| 43. |
Z.
Chemia, D. Dolejs, and G. Steinle-Neumann, Thermal
effects of variable material properties and metamorphic
reactions in a three-component subducting slab, J. Geophys. Res. 120, 6823-6845
(2015). DOI: 10.1002/2015JB012080 |
| 42. |
H.
Ni, H. Hui, and G. Steinle-Neumann,
Transport properties of silicate melts, Reviews
of Geophysics 53,
715-744 (2015). DOI: 10.1002/2015RG000485 |
| 41. |
V. Vlcek, H. R. Eisenberg, G.
Steinle-Neumann, L. Kronik, and R. Baer, Deviations from
piecewise linearity in the solid-state limit with
approximate density functionals, J. Chem. Phys. 142,
034107 (2015). DOI: 10.1063/1.4905236 |
| 40. |
V. Vlcek, G.Steinle-Neumann, L. Leppert, R.
Armiento, and S. Kümmel, Improved ground-state electronic
structure and optical dielectric constants with a semilocal
exchange functional, Phys. Rev. B 91, 035107
(2015). DOI: 10.1103/PhysRevB.91.035107 |
| 39. |
H. Gou, G. Steinle-Neumann,
E. Bykova, Y. Nakjima, N. Miyajima, Y. Li, S. V.
Ovsyannikov, L. S. Dubrovinsky, and N. Dubrovinskaia,
Stability of MnB2 with AlB2 -type
structure revealed by first-principles calculations and
experiments, Appl. Phys.
Lett. 102,
061906 (2013). DOI: 10.1063/1.4792273 |
| 38. |
P. Maierova, T. Chust, G.
Steinle-Neumann, O. Cadek, H. Cizkova, The effect of
variable thermal diffusivity on kinematic models of
subduction, J. Geophys.
Res. 117,
B07202 (2012). DOI: 10.1029/2011JB009119 |
| 37. |
V. Vlcek,
N. de Koker, and G. Steinle-Neumann, Electrical and thermal
conductivity of Al liquid at high pressures and temperatures
from ab-initio computations, Phys. Rev. B. 85, 184201 (2012). DOI: 10.1103/PhysRevB.85.184201 |
| 36. |
N. de Koker, G.
Steinle-Neumann, and V. Vlcek, Electrical resistivity and
thermal conductivity of liquid Fe alloys at high P and T,
and heat flux in Earth's core, Proc. Nat. Acad. Sciences (USA) 109, 4070-4073 (2012). DOI: 10.1073/pnas.1111841109 |
| 35. |
O. Adjaoud, G.
Steinle-Neumann, and S. Jahn, Tranport properties of Mg2SiO4
liquid at high pressure: Physical state of the magma ocean,
Earth Planet. Sci. Lett.
312, 463-470 (2011).
DOI: 10.1016/j.epsl.2011.10.025 |
| 34. |
M. Mookherjee. Y. Nakajima,
G. Steinle-Neumann, K. Glazyrin, X. Wu, L. Dubrovinsky, C.
McCammon, and A. Chumakov, High pressure behavior of iron
carbide (Fe7C3) at inner core
conditions, J. Geophys.
Res. 116,
B04201 (2011). DOI: 10.1029/2010JB007819 |
| 33. |
X. Wu, G. Steinle-Neumann, O.
Narygina, C. McCammon, and L. Dubrovinsky, Structural
evolution and iron oxidation state of LiNbO3-type
FeTiO3 at high pressure, High Pressure Research
30, 395-405 (2010).
DOI: 10.1080/08957959.2010.484284 |
| 32. |
X. Wu, E. Holbig, and G.
Steinle-Neumann, Structural stability of TiO2 at
high pressure in density-functional-theory based
calculations, J. Phys.:
Cond Matter 22,
295501 (2010). DOI: 10.1088/0953-8984/22/29/295501 |
| 31. |
M. Mookherjee and G.
Steinle-Neumann, Detecting deeply subducted crust from the
elasticity of hollandite, Earth
Planet. Sci Lett. 288,
349-358 (2009). DOI: 10.1016/j.epsl.2009.09.037 |
| 30. |
O. Adjaoud, G.
Steinle-Neumann, B. P. Burton, and A. v. d. Walle,
First-principles phase diagram calculations for the HfC-TiC,
ZrC-TiC and HfC-ZrC solid solutions, Phys. Rev. B 80, 134112 (2009). DOI: 10.1103/PhysRevB.80.134112 |
| 29. |
X. Wu, G. Steinle-Neumann, O.
Narygina, I. Kantor, C. McCammon, V. Prakapenka, V. Swamy,
and L. Dubrovinsky, High pressure behavior of perovskite:
FeTiO3 dissociation into (Fe1-xTixO)
and Fe1+xTi2-xO5, Phys. Rev. Lett. 103, 065503 (2009). DOI: 10.1103/PhysRevLett.103.065503 |
| 28. |
I. Kantor, L. Dubrovinsky, C.
McCammon, G. Steinle-Neumann, A. Kantor, N. Skorodumova, S.
Pascarelli, and G. Aquilanti, Short range order and Fe
clustering in Mg1-xFexO under high
pressure, Phys. Rev. B 80, 014204 (2009). DOI: 10.1103/PhysRevB.80.014204 |
| 27. |
X. Wu, M. Kanzaki, S. Qin, G.
Steinle-Neumann, and L. Dubrovinsky, Structural study of FeP2
at high pressure, High
Pressure Research 29,
235-244 (2009). DOI: 10.1080/08957950802597221 |
| 26. |
K. K. M. Lee, G.
Steinle-Neumann, and S. Akber-Knutson, Ab-initio prediction
of potassium partitioning between Fe- and Al-bearing MgSiO3
perovskite and post-perovskite, Phys. Earth Planet. Int. 174, 247-253 (2009).
DOI: 10.1016/j.pepi.2008.09.003 |
| 25. |
M. Mookherjee and G.
Steinle-Neumann, Elasticity of phase X at high pressure,
Geophys. Res. Lett. 36, L08307 (2009). DOI: 10.1029/2009GL037782 |
| 24. |
X. Wu, G. Steinle-Neumann, S.
Qin, M. Kanzaki, and L. Dubrovinsky, Pressure-induced phase
transitions of AX2-type iron pnictides: ab-initio
study, J. Phys.: Cond.
Matter 21,
185403 (2009). DOI: 10.1088/0953-8984/21/18/185403 |
| 23. |
X. Wu, G. Steinle-Neumann, O.
Narygina, I. Kantor, C. McCammon, S. Pascarelli, G.
Aquilanti, V. Prakapenka, and L. Dubrovinsky, Iron oxidation
state of FeTiO3 under high pressure, Phys. Rev. B 79, 094106 (2009). DOI: 10.1103/PhysRevB.79.094106 |
| 22. |
B. S. A. Schuberth, H.-P.
Bunge, G. Steinle-Neumann, C. Moder, and J. Oeser, Thermal
vs. elastic heterogeneity in high-resolution mantle
circulation models with pyrolitic composition: high plume
excess temperatures in the lowermost mantle, Geochem. Geophys. Geosystems
10, Q01W01 (2009). DOI: 10.1029/2008GC002235 |
| 21. |
O. Adjaoud, G.
Steinle-Neumann, and S. Jahn, Mg2SiO4 liquid
under high pressure from molecular dynamics, Chemical Geology 256, 185-192 (2008). DOI: 10.1016/j.chemgeo.2008.06.031 |
| 20. |
D. Antonageli, L. R.
Benedetti, D. L. Farber, G. Steinle-Neumann, A.-L. Auzende,
J. Badro, M. Hanfland, and M. Krisch, Anomalous pressure
evolution of the axial ratio c/a in hcp cobalt: interplay
between structure, magnetism and lattice dynamics, Applied Physics Letter
92, 111911 (2008). DOI: 10.1063/1.2897038 |
| 19. |
G. Steinle-Neumann,
Magneto-elastic effects in compressed cobalt from first
principles, Phys. Rev. B
77, 104109
(2008). DOI: 10.1103/PhysRevB.77.104109 |
| 18. |
K. K. M. Lee and G.
Steinle-Neumann, Ab-initio study of the effect of pressure
and chemistry on the electron-capture radioactive decay
constants of 7Be, 22Na and 40K,
Earth Planet. Sci. Lett. 267, 628-636 (2008). DOI: 10.1016/j.epsl.2007.12.014 |
| 17. |
S. Klotz, G. Steinle-Neumann,
Th. Strässle, J. Philippe, Th. Hansen, and M. J. Wenzel,
Magnetism and the Verwey transition in Fe3O4
under pressure, Phys.
Rev. B 77,
012411 (2008). DOI: 10.1103/PhysRevB.77.012411 |
| 16. |
A. S. Piazzoni, G.
Steinle-Neumann, H.-P. Bunge, and D. Dolejs, A mineralogical
model for density and elasticity of the Earth's mantle, Geochem. Geophys. Geosystems
8, Q11010 (2007). DOI: 10.1029/2007GC001697 |
| 15. |
M. J. Wenzel and G.
Steinle-Neumann, Nonequivalence of the octahedral sites of
cubic Fe3O4 magnetite, Phys. Rev. B 75, 214430 (2007). DOI: 10.1103/PhysRevB.75.214430 |
| 14. |
M. Iuga, G. Steinle-Neumann,
and J. Meinhardt, Ab-initio simulations of elastic constants
for some ceramic materials, European Physics Journal B 58, 127-133 (2007). DOI: 10.1140/epjb/e2007-00209-1 |
| 13. |
E. Stoyanov, F. Langenhorst,
and G. Steinle-Neumann, The effect of valence state and site
geometry on Ti L3,2 and O K electron energy-loss
spectra of TixOy phases, American Mineralogist 92, 577-586 (2007). DOI: 10.2138/am.2007.2344 |
| 12. |
E. Holbig, L. S. Dubrovinsky,
G. Steinle-Neumann, V, Prakapenka, and V. Swamy, Compression
behavior of Zr-doped nanoanatase, Zeitschrift für Naturforschung 61b, 1577-1585 (2006). |
| 11. |
K. K. M. Lee and G.
Steinle-Neumann, High pressure alloying of iron and xenon:
"Missing" Xe in the Earth's core?, J. Geophys. Res. 111, B02202 (2006). DOI: 10.1029/2005JB00378 |
| 10. |
S. Akber-Knutson, G.
Steinle-Neumann, and P. Asimow, The effect of Al on the
sharpness of the MgSiO3 perovskite to
post-perovskite transition, Geophys. Res. Lett. 32, L14303 (2005). DOI: 10.1029/2005GL023192 |
| 9. |
G. Steinle-Neumann and R. E.
Cohen, Comment on 'On the importance of the free energy for
elasticity under pressure', J. Phys.: Cond. Matter 16, 8783-8786 (2004). DOI: 10.1088/0953-8984/16/47/028 |
| 8. |
K. K. M. Lee, G.
Steinle-Neumann, and R. Jeanloz, Ab-initio high pressure
alloying of iron and potassium: Implications for the Earth's
core, Geopys. Res. Lett.
31, L11603
(2004). DOI: 10.1029/2004GL019839 |
| 7. |
G. Steinle-Neumann, R. E.
Cohen, and L. Stixrude, Magnetism in iron as a function of
pressure, J. Phys.: Cond.
Matter 16,
S1109-1119 (2004). DOI: 10.1088/0953-8984/16/14/020 |
| 6. |
G. Steinle-Neumann, L.
Stixrude, and R. E. Cohen, Magnetism in dense hexagonal
iron, Proc. Nat. Acad.
Sciences (USA) 101,
33-36 (2004). DOI: 10.1073/pnas.2237239100 |
| 5. |
R. E. Cohen, S. Gramsch, G.
Steinle-Neumann, and L. Stixrude, Importance of magnetism in
phase stability, equation of state, and elasticity, Proceedings of the
International School of Physics "Enrico Fermi" Volume
CXLVII "High-Pressure Phenomena", eds. R. J. Hemley
et al., pp 215-238,
IOS Press, Washington, DC (2003). arXiv: cond-mat/0110025 |
| 4. |
G. Steinle-Neumann, L.
Stixrude, and R. E. Cohen, Physical properties of iron in
the inner core, in Core
dynamics, structure, and rotation, Geodynamics Series ,
vol. 31, edited by V. Dehant et al., pp. 137-162,
American Geophysical Union, Washington, DC (2003). arXiv: physics/020405 |
| 3. |
G. Steinle-Neumann, L.
Stixrude, R. E. Cohen, and O. Gülseren, Elasticity of iron
at the temperature of the Earth's inner core, Nature 413, 57-60 (2001). DOI: 10.1038/35092536 |
| 2. |
G. Steinle-Neumann, L.
Stixrude, and R. E. Cohen, Absence of lattice strain
anomalies at the electronic topological transition in zinc
at high pressure, Phys.
Rev. B 63,
054103 (2001). DOI: 10.1103/PhysRevB.63.054103 |
| 1. |
G. Steinle-Neumann, L.
Stixrude, and R. E. Cohen, First-principles elastic
constants for the hcp transition metals Fe, Co, and Re at
high pressure, Phys. Rev.
B 60,
791-799 (1999). DOI: 10.1103/PhysRevB.60.791 |